==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-10 3MZ4 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.P.DOWLING,S.G.GATTIS,C.A.FIERKE,D.W.CHRISTIANSON . 711 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 39 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 1 2 2 0 2 3 1 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 14 A L 0 0 164 0, 0.0 109,-0.4 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 175.4 -18.8 -7.2 -19.6 2 15 A V - 0 0 64 1,-0.1 109,-0.2 106,-0.1 39,-0.1 -0.319 360.0 -95.3 -78.0 153.8 -16.2 -5.3 -17.5 3 16 A P - 0 0 19 0, 0.0 39,-2.7 0, 0.0 2,-0.4 -0.367 37.9-121.3 -65.7 138.8 -12.5 -5.2 -18.3 4 17 A V E -ab 42 112A 0 107,-3.0 109,-3.1 37,-0.2 2,-0.6 -0.681 21.8-159.5 -78.5 132.4 -10.3 -7.7 -16.5 5 18 A Y E -ab 43 113A 10 37,-3.1 39,-2.3 -2,-0.4 2,-0.5 -0.966 11.8-142.5-116.0 111.7 -7.5 -6.2 -14.4 6 19 A I E +a 44 0A 7 107,-2.6 2,-0.3 -2,-0.6 109,-0.3 -0.638 45.1 134.5 -82.0 121.1 -4.7 -8.6 -13.6 7 20 A Y + 0 0 51 37,-2.2 3,-0.1 -2,-0.5 -2,-0.1 -0.970 22.4 156.9-164.0 145.3 -3.6 -7.9 -10.1 8 21 A S > - 0 0 9 -2,-0.3 4,-2.4 37,-0.2 5,-0.2 -0.860 46.2-115.9-162.9 154.8 -2.6 -9.4 -6.7 9 22 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.897 117.5 50.6 -54.9 -41.6 -0.4 -8.1 -3.8 10 23 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 109.3 50.4 -66.0 -39.3 2.1 -10.9 -4.4 11 24 A Y H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 110.3 49.0 -66.3 -44.8 2.3 -10.2 -8.1 12 25 A V H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 14,-0.2 0.956 109.6 52.4 -61.4 -46.6 3.0 -6.5 -7.6 13 26 A S H X S+ 0 0 73 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.898 110.7 48.3 -54.9 -43.5 5.7 -7.2 -5.0 14 27 A M H >< S+ 0 0 61 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.974 113.3 45.7 -59.9 -53.6 7.4 -9.5 -7.4 15 28 A C H >< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.814 103.2 64.9 -61.9 -31.6 7.3 -7.0 -10.3 16 29 A D H 3< S+ 0 0 29 -4,-2.6 7,-1.5 1,-0.3 -1,-0.3 0.767 92.8 65.6 -59.6 -27.7 8.5 -4.2 -7.9 17 30 A S T << + 0 0 59 -3,-1.6 -1,-0.3 -4,-0.7 2,-0.2 0.563 68.3 119.7 -69.3 -16.9 11.7 -6.2 -7.6 18 31 A L X - 0 0 17 -3,-1.6 3,-1.2 -4,-0.3 6,-0.2 -0.394 62.3-141.7 -62.0 123.3 12.7 -5.7 -11.3 19 32 A A T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.763 94.4 52.0 -66.0 -24.9 16.0 -3.8 -11.2 20 33 A K T 3 S+ 0 0 93 1,-0.2 -1,-0.3 110,-0.1 -2,-0.1 0.767 123.3 25.8 -84.5 -21.9 15.3 -1.6 -14.1 21 34 A I S X S- 0 0 22 -3,-1.2 3,-1.9 -6,-0.2 4,-0.5 -0.414 81.6-170.6-137.6 55.2 12.0 -0.3 -13.0 22 35 A P T 3 S- 0 0 66 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.264 73.9 -4.1 -58.0 132.4 12.0 -0.6 -9.1 23 36 A K T 3> S+ 0 0 123 -7,-1.5 4,-2.1 -10,-0.1 5,-0.2 0.407 95.2 122.6 67.1 3.6 8.6 0.1 -7.5 24 37 A R H <> + 0 0 9 -3,-1.9 4,-2.6 -8,-0.2 5,-0.2 0.910 69.7 54.4 -60.1 -44.6 7.0 0.9 -10.9 25 38 A A H > S+ 0 0 8 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.936 110.1 47.2 -60.1 -42.2 4.4 -1.7 -10.6 26 39 A S H > S+ 0 0 24 -14,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 110.3 53.1 -63.1 -36.9 3.3 -0.3 -7.2 27 40 A M H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.956 111.6 45.3 -64.3 -45.4 3.2 3.2 -8.6 28 41 A V H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 116.8 43.6 -63.4 -51.4 1.0 2.2 -11.5 29 42 A H H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.920 113.0 50.6 -62.9 -43.7 -1.5 0.2 -9.4 30 43 A S H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.857 110.3 49.3 -71.9 -27.7 -1.7 2.6 -6.6 31 44 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.933 110.9 50.2 -72.0 -42.3 -2.5 5.6 -9.0 32 45 A I H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 6,-0.5 0.884 114.0 46.5 -55.9 -44.1 -5.2 3.5 -10.7 33 46 A E H ><5S+ 0 0 89 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.899 106.5 57.0 -66.9 -42.9 -6.5 2.7 -7.2 34 47 A A H 3<5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.828 107.5 49.0 -59.5 -32.6 -6.3 6.4 -6.2 35 48 A Y T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.406 113.4-125.6 -84.9 -0.4 -8.5 7.2 -9.2 36 49 A A T X 5 + 0 0 36 -3,-2.0 3,-1.2 -5,-0.1 -3,-0.2 0.617 68.6 135.0 72.0 17.6 -10.9 4.4 -8.0 37 50 A L G > < + 0 0 1 -5,-2.0 3,-1.6 1,-0.3 -4,-0.2 0.748 58.8 68.9 -74.5 -24.0 -10.7 2.8 -11.4 38 51 A H G > S+ 0 0 49 -6,-0.5 3,-1.0 1,-0.3 -1,-0.3 0.736 89.7 65.3 -65.2 -23.2 -10.2 -0.7 -9.9 39 52 A K G < S+ 0 0 169 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.599 102.1 49.1 -71.6 -13.4 -13.9 -0.4 -8.6 40 53 A Q G < S+ 0 0 77 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.233 107.7 64.1-109.1 8.9 -15.0 -0.5 -12.3 41 54 A M S < S- 0 0 15 -3,-1.0 2,-0.6 -39,-0.1 -37,-0.2 -0.828 84.4-108.8-125.5 166.4 -12.9 -3.5 -13.3 42 55 A R E -a 4 0A 123 -39,-2.7 -37,-3.1 -2,-0.3 2,-0.4 -0.894 31.7-141.2-100.1 117.6 -12.8 -7.2 -12.5 43 56 A I E -a 5 0A 76 -2,-0.6 2,-0.5 -39,-0.2 -37,-0.2 -0.582 20.9-175.2 -82.3 122.2 -9.7 -8.1 -10.5 44 57 A V E -a 6 0A 24 -39,-2.3 -37,-2.2 -2,-0.4 56,-0.0 -0.980 23.3-130.7-123.8 125.5 -8.2 -11.4 -11.4 45 58 A K - 0 0 141 -2,-0.5 -37,-0.2 -39,-0.2 2,-0.1 -0.548 30.1-126.6 -70.4 125.1 -5.3 -13.0 -9.6 46 59 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 50,-0.2 -0.469 15.7-132.2 -73.1 148.8 -2.6 -14.1 -12.1 47 60 A K - 0 0 156 48,-0.6 2,-0.4 -2,-0.1 52,-0.2 -0.629 24.4-110.0 -89.7 154.4 -1.3 -17.6 -12.1 48 61 A V - 0 0 103 -2,-0.2 44,-0.2 47,-0.2 2,-0.1 -0.727 38.1-112.3 -81.8 130.9 2.4 -18.3 -12.2 49 62 A A - 0 0 6 42,-2.5 46,-0.1 -2,-0.4 2,-0.1 -0.418 29.8-134.6 -66.3 136.2 3.5 -19.8 -15.5 50 63 A S > - 0 0 56 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.443 25.6-104.0 -81.0 165.7 4.7 -23.4 -15.3 51 64 A M H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.910 123.8 47.9 -51.3 -48.5 7.8 -24.8 -17.1 52 65 A E H 4 S+ 0 0 163 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.902 108.7 53.7 -66.4 -39.4 5.6 -26.4 -19.8 53 66 A E H >4 S+ 0 0 57 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.955 111.4 45.8 -55.1 -47.4 3.6 -23.2 -20.2 54 67 A M H >X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.3 3,-1.4 0.840 105.4 62.2 -65.7 -31.1 6.8 -21.3 -20.8 55 68 A A T 3< S+ 0 0 30 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.524 75.3 88.2 -75.7 -5.8 8.1 -24.0 -23.1 56 69 A T T <4 S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.736 119.4 2.2 -63.9 -16.5 5.2 -23.4 -25.6 57 70 A F T <4 S+ 0 0 34 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.553 122.9 69.7-126.4 -53.9 7.7 -20.8 -27.0 58 71 A H S < S- 0 0 2 -4,-2.1 67,-0.2 1,-0.1 -1,-0.2 -0.315 84.1-108.3 -74.7 147.1 11.0 -20.9 -25.1 59 72 A T > - 0 0 42 65,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.439 19.6-122.7 -75.0 154.2 13.4 -23.9 -25.4 60 73 A D H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 112.5 54.6 -63.8 -35.9 13.8 -26.3 -22.6 61 74 A A H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 109.1 47.1 -63.8 -44.5 17.6 -25.6 -22.5 62 75 A Y H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.946 113.6 48.2 -60.3 -49.4 17.0 -21.8 -22.2 63 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.866 110.5 50.0 -61.4 -40.7 14.5 -22.3 -19.4 64 77 A Q H X S+ 0 0 114 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.893 113.1 46.9 -69.0 -37.9 16.6 -24.7 -17.4 65 78 A H H X S+ 0 0 59 -4,-1.9 4,-2.2 -5,-0.2 5,-0.4 0.960 110.4 52.6 -64.4 -49.8 19.6 -22.3 -17.6 66 79 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 21,-0.4 0.920 111.8 47.5 -47.5 -48.9 17.3 -19.4 -16.6 67 80 A Q H X S+ 0 0 76 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.924 111.7 50.5 -61.8 -44.4 16.2 -21.4 -13.6 68 81 A K H >X S+ 0 0 130 -4,-2.4 3,-2.0 1,-0.2 4,-1.1 0.978 111.0 43.4 -60.8 -63.8 19.8 -22.4 -12.7 69 82 A V H 3< S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.3 60.5 -53.4 -28.4 21.5 -19.0 -12.7 70 83 A S H 3< S+ 0 0 7 -4,-1.4 15,-1.5 -5,-0.4 -1,-0.3 0.816 98.5 58.8 -64.0 -32.8 18.3 -17.8 -10.9 71 84 A Q H << 0 0 147 -3,-2.0 -2,-0.2 -4,-1.0 -1,-0.2 0.867 360.0 360.0 -67.3 -40.7 19.1 -20.3 -8.1 72 85 A E < 0 0 171 -4,-1.1 -1,-0.2 11,-0.1 -2,-0.2 0.682 360.0 360.0 -89.2 360.0 22.5 -18.7 -7.3 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 96 A Y 0 0 100 0, 0.0 53,-2.6 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 24.5 21.6 -17.4 -23.5 75 97 A G + 0 0 34 51,-0.2 2,-1.5 1,-0.1 5,-0.3 0.546 360.0 140.5 82.3 11.1 21.9 -13.6 -23.8 76 98 A L + 0 0 33 3,-0.1 6,-0.7 2,-0.1 -1,-0.1 -0.234 38.6 102.6 -88.0 51.6 22.2 -13.0 -20.1 77 99 A G S S- 0 0 22 -2,-1.5 3,-0.4 4,-0.2 533,-0.2 0.186 86.1 -22.8-106.9-135.0 24.8 -10.2 -20.2 78 100 A Y S S+ 0 0 64 531,-2.9 532,-0.1 1,-0.3 -2,-0.1 0.851 140.8 33.7 -50.1 -47.4 24.9 -6.4 -19.8 79 101 A L S S+ 0 0 63 530,-0.3 -1,-0.3 1,-0.2 51,-0.1 0.766 132.0 32.4 -83.0 -23.5 21.3 -5.9 -20.6 80 102 A C S S- 0 0 1 -3,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.416 77.5-179.8-129.8 60.1 20.1 -9.2 -19.1 81 103 A P - 0 0 61 0, 0.0 2,-1.3 0, 0.0 -4,-0.2 -0.310 36.1-114.6 -67.2 142.5 22.3 -10.0 -16.1 82 104 A A + 0 0 46 -6,-0.7 2,-0.2 4,-0.0 -2,-0.0 -0.671 48.4 170.9 -75.7 94.0 21.5 -13.2 -14.3 83 105 A T > - 0 0 72 -2,-1.3 3,-1.5 1,-0.1 2,-0.2 -0.623 42.7 -72.9-100.9 166.8 20.3 -11.9 -10.8 84 106 A E T 3 S+ 0 0 147 1,-0.2 -13,-0.1 -2,-0.2 -14,-0.1 -0.342 113.0 6.0 -63.5 127.8 18.7 -13.9 -8.0 85 107 A G T >> S+ 0 0 11 -15,-1.5 4,-2.1 -18,-0.2 3,-0.5 0.470 81.5 130.9 85.5 1.2 15.1 -14.9 -8.5 86 108 A I H <> + 0 0 4 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.877 69.7 59.6 -58.6 -33.9 14.8 -13.7 -12.1 87 109 A F H 3> S+ 0 0 16 -21,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.918 108.1 44.0 -55.8 -46.1 13.3 -17.0 -13.1 88 110 A D H <> S+ 0 0 89 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.847 111.8 51.5 -71.0 -36.1 10.4 -16.5 -10.7 89 111 A Y H X S+ 0 0 51 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 113.0 48.2 -62.7 -42.3 9.8 -12.9 -11.7 90 112 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.945 110.8 48.5 -62.6 -53.7 9.7 -14.1 -15.3 91 113 A A H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -42,-2.5 0.837 110.1 54.4 -53.2 -37.7 7.3 -16.9 -14.6 92 114 A A H X S+ 0 0 8 -4,-1.9 4,-2.0 -44,-0.2 -1,-0.2 0.900 113.2 39.9 -64.2 -44.5 5.1 -14.5 -12.7 93 115 A I H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 116.4 50.6 -76.5 -39.8 4.8 -12.0 -15.6 94 116 A G H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.938 112.7 47.9 -55.1 -47.7 4.5 -14.8 -18.1 95 117 A G H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.3 -48,-0.6 0.874 108.3 54.6 -66.5 -35.4 1.7 -16.3 -16.0 96 118 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.891 110.0 45.4 -62.9 -42.1 -0.0 -13.0 -15.7 97 119 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.930 112.4 51.6 -72.0 -40.6 -0.2 -12.5 -19.5 98 120 A I H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 108.8 51.6 -55.5 -43.8 -1.4 -16.1 -20.0 99 121 A T H X S+ 0 0 13 -4,-2.2 4,-2.4 -52,-0.2 -1,-0.2 0.912 108.2 50.8 -64.5 -39.7 -4.1 -15.5 -17.4 100 122 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.909 110.4 50.3 -64.6 -40.5 -5.2 -12.4 -19.2 101 123 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 109.6 51.1 -62.2 -39.8 -5.3 -14.5 -22.5 102 124 A Q H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 6,-0.3 0.910 105.5 55.0 -65.6 -41.4 -7.4 -17.2 -20.7 103 125 A C H <>S+ 0 0 5 -4,-2.4 5,-1.3 1,-0.2 6,-0.8 0.866 109.3 48.5 -55.9 -38.7 -9.9 -14.6 -19.5 104 126 A L H ><5S+ 0 0 3 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.891 107.7 54.4 -72.5 -39.9 -10.4 -13.4 -23.1 105 127 A I H 3<5S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.906 106.7 51.0 -55.9 -45.0 -10.9 -17.0 -24.3 106 128 A D T 3<5S- 0 0 97 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.312 111.8-120.6 -82.1 10.7 -13.6 -17.7 -21.8 107 129 A G T < 5S+ 0 0 54 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.658 70.5 140.3 56.9 17.0 -15.4 -14.5 -22.9 108 130 A M S + c 0 279A 1 164,-3.1 3,-1.6 -2,-0.5 166,-1.1 -0.780 7.2 178.2-130.3 90.7 -1.5 -6.7 -17.5 115 137 A W T 3 S+ 0 0 9 -2,-0.3 166,-0.4 -109,-0.3 -1,-0.1 0.761 78.3 59.5 -63.1 -25.7 0.4 -3.5 -17.1 116 138 A S T 3 S+ 0 0 21 164,-0.2 -1,-0.3 163,-0.1 163,-0.1 0.480 96.3 74.4 -85.5 -2.4 3.5 -5.4 -16.0 117 139 A G < + 0 0 1 -3,-1.6 163,-0.1 161,-0.2 3,-0.1 -0.032 39.3 103.8 -89.5-160.2 3.8 -7.4 -19.1 118 140 A G + 0 0 2 1,-0.1 2,-2.2 161,-0.1 164,-0.2 0.722 32.6 160.5 95.5 25.9 5.0 -6.4 -22.6 119 141 A W > + 0 0 25 1,-0.2 3,-1.0 14,-0.1 -1,-0.1 -0.412 11.8 163.5 -78.6 69.4 8.5 -8.0 -22.5 120 142 A H T 3 + 0 0 5 -2,-2.2 42,-1.1 1,-0.2 43,-1.0 0.524 54.0 65.5 -75.5 -12.6 8.7 -7.9 -26.3 121 143 A H T 3 S+ 0 0 7 7,-0.2 -1,-0.2 8,-0.2 13,-0.1 0.690 71.2 109.7 -86.2 -22.5 12.5 -8.5 -26.9 122 144 A A < - 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0 0 19 -3,-1.9 3,-1.2 3,-0.2 6,-0.2 -0.423 61.5-140.5 -57.0 122.8 31.4 6.5 -11.4 376 32 B A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.785 94.3 50.2 -70.6 -27.9 28.2 4.6 -11.2 377 33 B K T 3 S+ 0 0 94 1,-0.2 -1,-0.3 111,-0.1 -2,-0.1 0.732 124.0 28.5 -79.8 -24.0 28.8 2.2 -14.1 378 34 B I S X S- 0 0 20 -3,-1.2 3,-2.1 -6,-0.2 4,-0.4 -0.394 83.1-170.1-134.5 55.3 32.2 1.1 -12.9 379 35 B P T 3 S- 0 0 66 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.272 73.7 -4.3 -57.4 133.7 32.1 1.5 -9.1 380 36 B K T 3> S+ 0 0 94 -7,-2.1 4,-2.5 -11,-0.1 5,-0.2 0.422 94.2 125.2 68.9 -1.5 35.6 1.1 -7.5 381 37 B R H <> + 0 0 10 -3,-2.1 4,-2.7 -6,-0.2 5,-0.2 0.900 69.7 52.9 -59.3 -41.5 37.2 0.2 -10.8 382 38 B A H > S+ 0 0 9 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.928 110.6 47.6 -61.9 -45.7 39.8 3.0 -10.5 383 39 B S H > S+ 0 0 17 -14,-0.3 4,-2.6 2,-0.2 5,-0.2 0.900 111.8 50.7 -56.6 -43.3 40.8 1.6 -7.1 384 40 B M H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.912 112.4 46.6 -64.5 -42.6 41.0 -1.9 -8.4 385 41 B V H X S+ 0 0 5 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.962 117.1 42.1 -60.2 -50.7 43.2 -0.9 -11.4 386 42 B H H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 113.8 51.6 -69.5 -37.1 45.6 1.2 -9.3 387 43 B S H X S+ 0 0 7 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.868 110.6 48.2 -75.1 -30.0 45.8 -1.3 -6.5 388 44 B L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.957 111.3 49.4 -71.0 -46.8 46.6 -4.2 -8.8 389 45 B I H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 6,-0.4 0.925 114.9 46.9 -48.9 -45.7 49.3 -2.1 -10.6 390 46 B E H ><5S+ 0 0 93 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.878 105.1 59.0 -66.5 -38.1 50.6 -1.3 -7.1 391 47 B A H 3<5S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.7 47.1 -62.3 -32.4 50.4 -5.0 -6.0 392 48 B Y T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.298 113.5-124.1 -88.3 5.0 52.8 -5.7 -8.9 393 49 B A T X 5 + 0 0 35 -3,-2.0 3,-1.1 -5,-0.2 -3,-0.2 0.662 68.2 136.0 65.3 21.5 55.1 -2.8 -7.8 394 50 B L G > < + 0 0 2 -5,-2.1 3,-1.5 1,-0.3 -4,-0.2 0.768 58.6 70.2 -76.4 -21.7 54.9 -1.2 -11.2 395 51 B H G > S+ 0 0 37 -6,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.740 89.2 62.6 -61.3 -25.7 54.4 2.3 -9.7 396 52 B K G < S+ 0 0 164 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.603 101.4 54.4 -77.8 -9.6 58.0 2.2 -8.4 397 53 B Q G < S+ 0 0 66 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.325 105.1 61.5-104.4 4.7 58.9 2.1 -12.1 398 54 B M S < S- 0 0 13 -3,-1.2 2,-0.8 -39,-0.1 -37,-0.2 -0.831 85.7-109.0-127.6 159.5 57.0 5.2 -13.2 399 55 B R E -l 361 0F 86 -39,-2.6 -37,-2.7 -2,-0.3 2,-0.5 -0.861 37.4-141.3 -87.7 113.1 57.0 8.9 -12.3 400 56 B I E -l 362 0F 76 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.630 21.0-170.5 -80.2 119.1 53.8 9.4 -10.3 401 57 B V E -l 363 0F 27 -39,-2.6 -37,-2.1 -2,-0.5 57,-0.1 -0.950 20.8-131.5-117.9 125.8 52.2 12.7 -11.3 402 58 B K - 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